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5-AMINO-3-METHYLTHIO-2-(2-NITROPHENYL)-2H-1,2,4-TRIAZOLE
SpectraBase Compound ID EXJZgkSfndM
InChI InChI=1S/C9H9N5O2S/c1-17-9-11-8(10)12-13(9)6-4-2-3-5-7(6)14(15)16/h2-5H,1H3,(H2,10,12)
InChIKey IJLHHUUEULNUHB-UHFFFAOYSA-N
Mol Weight 251.26 g/mol
Molecular Formula C9H9N5O2S
Exact Mass 251.047696 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CLHlYgUpQZk
Name 5-AMINO-3-METHYLTHIO-2-(2-NITROPHENYL)-2H-1,2,4-TRIAZOLE
Compound Number 9/1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H9N5O2S
InChI InChI=1S/C9H9N5O2S/c1-17-9-11-8(10)12-13(9)6-4-2-3-5-7(6)14(15)16/h2-5H,1H3,(H2,10,12)
InChIKey IJLHHUUEULNUHB-UHFFFAOYSA-N
Literature Reference Author P.TRINKA,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,32,1359(1995)
Literature Reference DOI 10.1002/jhet.5570320443
Molecular Weight 251.263 g/mol
Solvent DMSO-D6
Source File Reference UWMZ3031